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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246359

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1246359
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Li', 'Se', 'N']
  • Chemical System: Li-N-Se
  • Density: 2.7780119302892055
  • Atomic Density: 0.10418527459926195
  • Unit Cell Volume: 211.1622787828775
  • Molar Volume: 5.78022257287659
  • Full Formula: Li12 Se2 N8
  • Reduced Formula: Li6SeN4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -107.32590698
  • Final energy per atom: -4.878450317272727
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.